SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4e1l'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CBR_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		5 / 12 LEU A  29
ALA A  33
ALA A  37
VAL A 200
LEU A 259
 None
 1.13A 1cbrA-4e1lA:
undetectable		 1cbrA-4e1lA:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CBR_B_REAB200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		5 / 12 LEU A  29
ALA A  33
ALA A  37
VAL A 200
LEU A 259
 None
 1.13A 1cbrB-4e1lA:
undetectable		 1cbrB-4e1lA:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CBS_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE II)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		5 / 12 ILE A  32
ALA A  33
ALA A  37
VAL A 200
LEU A 259
 None
 1.11A 1cbsA-4e1lA:
undetectable		 1cbsA-4e1lA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_A_BEZA502_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		4 / 6 ASN A  85
ASN A  55
ILE A 351
GLY A 352
 None
 1.05A 1oniA-4e1lA:
1.2
1oniB-4e1lA:
1.5		 1oniA-4e1lA:
16.46
1oniB-4e1lA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_D_BEZD508_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		4 / 6 ASN A  85
ASN A  55
ILE A 351
GLY A 352
 None
 1.09A 1oniD-4e1lA:
1.4
1oniF-4e1lA:
1.2		 1oniD-4e1lA:
16.46
1oniF-4e1lA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FR3_A_REAA300_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
2)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		5 / 12 ILE A  32
ALA A  33
ALA A  37
VAL A 200
LEU A 259
 None
 1.02A 2fr3A-4e1lA:
undetectable		 2fr3A-4e1lA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HW2_A_RFPA1200_1
(RIFAMPIN ADP-RIBOSYL
TRANSFERASE)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		5 / 12 ALA A 186
MET A 224
GLY A 228
LEU A 229
LEU A 232
 None
IOD  A 410 ( 4.1A)
IOD  A 410 ( 4.2A)
IOD  A 410 ( 4.8A)
None
 1.09A 2hw2A-4e1lA:
undetectable		 2hw2A-4e1lA:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITZ_A_IREA2021_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		3 / 3 LEU A  97
LEU A 257
MET A 256
 None
 0.75A 2itzA-4e1lA:
undetectable		 2itzA-4e1lA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XRZ_A_ACTA1467_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		4 / 5 ARG A  11
ASP A 217
ILE A 190
GLU A 198
 None
None
IOD  A 404 ( 4.8A)
None
 0.82A 2xrzA-4e1lA:
undetectable
2xrzB-4e1lA:
undetectable		 2xrzA-4e1lA:
22.84
2xrzB-4e1lA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ADS_A_IMNA1_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		5 / 10 GLU A  47
ILE A 270
GLY A  42
ILE A 258
MET A 260
 None
 1.47A 3adsA-4e1lA:
undetectable		 3adsA-4e1lA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BOG_C_DHIC8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		3 / 3 SER A 119
GLY A  19
GLY A  15
 None
 0.45A 3bogA-4e1lA:
undetectable
3bogC-4e1lA:
undetectable		 3bogA-4e1lA:
undetectable
3bogC-4e1lA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		5 / 12 VAL A  27
ALA A  26
VAL A  34
ILE A  53
THR A  31
 None
 1.04A 3czhA-4e1lA:
undetectable		 3czhA-4e1lA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		5 / 12 VAL A  27
ALA A  26
VAL A  34
ILE A  53
THR A  31
 None
 1.06A 3dl9A-4e1lA:
undetectable		 3dl9A-4e1lA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U6T_A_KANA4699_1
(RIBOSOME
INACTIVATING PROTEIN)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		5 / 10 ILE A 111
SER A  46
ASN A  44
ILE A  38
ALA A  37
 None
 1.21A 3u6tA-4e1lA:
undetectable		 3u6tA-4e1lA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VRJ_A_1KXA301_1
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN
10-MER PEPTIDE)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		5 / 12 ILE A  75
VAL A  51
ILE A 258
THR A 115
ILE A  38
 None
 1.18A 3vrjA-4e1lA:
undetectable
3vrjC-4e1lA:
undetectable		 3vrjA-4e1lA:
24.46
3vrjC-4e1lA:
5.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVQ_A_ACTA904_0
(TYROSINE-PROTEIN
KINASE JAK2)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		3 / 3 PHE A  21
VAL A 204
GLU A 212
 None
 0.70A 4fvqA-4e1lA:
undetectable		 4fvqA-4e1lA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		4 / 8 ARG A  11
SER A 248
ALA A 346
SER A 182
 None
 1.01A 4lv9A-4e1lA:
undetectable
4lv9B-4e1lA:
undetectable		 4lv9A-4e1lA:
22.09
4lv9B-4e1lA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		5 / 12 GLU A 318
LEU A 375
GLY A 355
ALA A 353
GLU A 116
 None
 1.30A 4retC-4e1lA:
undetectable		 4retC-4e1lA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NU7_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 4)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		4 / 8 LEU A 259
ALA A 376
VAL A 110
TYR A 279
 None
None
None
IOD  A 413 ( 4.1A)
 0.91A 5nu7A-4e1lA:
undetectable		 5nu7A-4e1lA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B3B_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		5 / 12 GLY A 343
ASN A 317
ALA A 344
ILE A 314
LEU A 338
 None
IOD  A 403 (-4.4A)
None
None
None
 1.15A 6b3bA-4e1lA:
undetectable		 6b3bA-4e1lA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B58_A_ACTA608_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		3 / 3 GLY A  54
THR A 115
GLU A 116
 None
 0.64A 6b58A-4e1lA:
undetectable		 6b58A-4e1lA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CGG_B_84GB600_0
(BIFUNCTIONAL AAC/APH)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		5 / 10 SER A 354
ASN A 317
HIS A 349
GLU A 315
GLU A 198
 None
IOD  A 403 (-4.4A)
None
None
None
 1.35A 6cggB-4e1lA:
0.0		 6cggB-4e1lA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FBV_D_FI8D1904_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		4 / 8 ILE A  71
THR A  83
VAL A  84
LYS A  86
 None
IOD  A 402 (-4.6A)
IOD  A 408 ( 4.6A)
IOD  A 408 (-3.4A)
 1.16A 6fbvC-4e1lA:
undetectable		 6fbvC-4e1lA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G9B_B_IXXB705_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN
ENVELOPE
GLYCOPROTEIN)		 4e1l ACETOACETYL-COA
THIOLASE 2
(Clostridioides
difficile) 		4 / 5 ALA A 344
TYR A 219
GLN A 154
ILE A 250
 None
 1.27A 6g9bA-4e1lA:
undetectable
6g9bB-4e1lA:
undetectable		 6g9bA-4e1lA:
13.74
6g9bB-4e1lA:
13.74